EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205863 - Citreopenin

ChEBI IDCHEBI:205863
ChEBI NameCitreopenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO3
Net Charge0
Average Mass257.289
Monoisotopic Mass257.10519
SMILESCC1=C2C[C@@]3(C)C(=CC(=O)C(O)=C3C)C=C2NC1=O
InChIInChI=1S/C15H15NO3/c1-7-10-6-15(3)8(2)13(18)12(17)5-9(15)4-11(10)16-14(7)19/h4-5,18H,6H2,1-3H3,(H,16,19)/t15-/m1/s1
InChIKeyAPLMCDIFIAKMLY-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26666171)
ChEBI Ontology
Outgoing Relation(s)
Citreopenin (CHEBI:205863) is a indoles (CHEBI:24828)
IUPAC Name 
(4aS)-6-hydroxy-3,4a,5-trimethyl-1,4-dihydrobenzo[]indole-2,7-dione
Manual XrefsDatabases
78441455ChemSpider